П’єзоелектричний відгук полі (L-молочної кислоти) α-форми на механічно напружений стан
Here, the piezoelectric effects in a polymer (L-lactic acid) under a mechanical action are studied by methods of the density functional theory and first-principles pseudopotential based on own program code. The spatial distributions of the valence electron density, electronic state density, Coulomb...
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| Datum: | 2025 |
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| Hauptverfasser: | , , |
| Format: | Artikel |
| Sprache: | English Ukrainian |
| Veröffentlicht: |
Publishing house "Academperiodika"
2025
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| Schlagworte: | |
| Online Zugang: | https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2023265 |
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| Назва журналу: | Ukrainian Journal of Physics |
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Ukrainian Journal of Physics| Zusammenfassung: | Here, the piezoelectric effects in a polymer (L-lactic acid) under a mechanical action are studied by methods of the density functional theory and first-principles pseudopotential based on own program code. The spatial distributions of the valence electron density, electronic state density, Coulomb potentials in different directions of the PLLA polymer fragment and charge states of its individual atoms are calculated. It is found that only one fragment of the polymer chain allows us to determine the nature of the charge polarization of valence electrons and ions under a mechanical deformation. |
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